[Chimera-users] morph & ligands

Hernando J Sosa hernando.sosa at einstein.yu.edu
Mon Sep 18 08:30:28 PDT 2017


Sorry that was an old question and here was the answer.

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As I had understood it (and had written in the documentation)
<http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/morph/morph.html#pairing>:

"HET residues such as ligands and ions are only included if they are present in both structures and attached to the same atom(s) in the paired chains by at least one "covalent" bond (which can be an unrealistic bond added manually, e.g., with the command bond, and subsequently undisplayed) or ion coordination pseudobond. 

Once residues are paired, atoms in common within those residues are paired. In paired residues of the same type, atom pairing is straightforward. In paired residues of different types, only atoms with the same names are paired, and only a single connected fragment is kept per residue."

I hope this helps,
Elaine
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Elaine C. Meng, Ph.D. 
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco


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From: Chimera-users [mailto:chimera-users-bounces at cgl.ucsf.edu] On Behalf Of Hernando J Sosa
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Subject: [Chimera-users] morph & ligands

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 Is there a way to  keep & show the ligands in the Morph between structures?.  In the morphs that I've tried the ligands do not show up.

Thanks

H.


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